Structure of PDB 2ehz Chain A Binding Site BS01

Receptor Information
>2ehz Chain A (length=299) Species: 69011 (Pseudomonas sp. C18) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QAAVIELGYMGISVKDPDAWKSFATDMLGLQVLDEGEKDRFYLRMDYWHH
RIVVHHNGQDDLEYLGWRVAGKPEFEALGQKLIDAGYKIRICDKVEAQER
MVLGLMKTEDPGGNPTEIFWGPRIDMSNPFHPGRPLHGKFVTGDQGLGHC
IVRQTDVAEAHKFYSLLGFRGDVEYRIPLPNGMTAELSFMHCNARDHSIA
FGAMPAAKRLNHLMLEYTHMEDLGYTHQQFVKNEIDIALQLGIHANDKAL
TFYGATPSGWLIEPGWRGATAIDEAEYYVGDIFGHGVEATGYGLDVKLS
Ligand information
Ligand IDFE2
InChIInChI=1S/Fe/q+2
InChIKeyCWYNVVGOOAEACU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Fe+2]
CACTVS 3.341[Fe++]
FormulaFe
NameFE (II) ION
ChEMBL
DrugBankDB14510
ZINC
PDB chain2ehz Chain A Residue 399 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ehz Structural explanation for success and failure in the enzymatic ring-cleavage of 3,4 dihydroxybiphenyl and related PCB metabolites
Resolution1.35 Å
Binding residue
(original residue number in PDB)		H152 H215 E266
Binding residue
(residue number reindexed from 1)		H149 H212 E263
Annotation score1
Enzymatic activity
Enzyme Commision number 1.13.11.56: 1,2-dihydroxynaphthalene dioxygenase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008198 ferrous iron binding
GO:0016702 oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
GO:0018554 1,2-dihydroxynaphthalene dioxygenase activity
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
Biological Process
GO:0009056 catabolic process
GO:1901170 naphthalene catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:2ehz, PDBe:2ehz, PDBj:2ehz
PDBsum2ehz
PubMed
UniProtP0A108|NAHC_PSEU8 1,2-dihydroxynaphthalene dioxygenase (Gene Name=doxG)

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